{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "id": "figured-representation",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "3.13.2 | packaged by conda-forge | (main, Feb 17 2025, 14:10:22) [GCC 13.3.0]\n",
      "2025.09.1\n"
     ]
    }
   ],
   "source": [
    "import sys\n",
    "import pandas as pd\n",
    "import numpy as np\n",
    "from rdkit import rdBase, Chem, DataStructs\n",
    "from rdkit.Chem import AllChem, Draw, Descriptors, PandasTools, rdMolDescriptors\n",
    "PandasTools.RenderImagesInAllDataFrames(True)\n",
    "from rdkit.Chem.Draw import IPythonConsole\n",
    "from rdkit.Chem.Draw import rdDepictor\n",
    "\n",
    "rdDepictor.SetPreferCoordGen(True)\n",
    "IPythonConsole.molSize = (500,250)\n",
    "IPythonConsole.ipython_useSVG=True\n",
    "\n",
    "print(sys.version)\n",
    "print(rdBase.rdkitVersion)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "id": "overhead-scotland",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "'CCC(CF)c1cccc(N2Cc3cc(C4CCN(Cc5ccccc5)CC4)ccc3C2=O)c1'"
      ]
     },
     "execution_count": 2,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "s = Chem.MolToSmiles(Chem.MolFromSmiles('CCC(CF)C1=CC=CC(N2CC3=CC(C4CCN(CC5=CC=CC=C5)CC4)=CC=C3C2=O)=C1'))\n",
    "s"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "waiting-drive",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "'CCN(CF)c1ccccc1'"
      ]
     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "c = Chem.MolToSmiles(Chem.MolFromSmiles('CCN(CF)C1=CC=CC=C1'))\n",
    "c"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "id": "prompt-evidence",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "(0, 1, 2, 3, 4, 28, 29, 30)"
      ]
     },
     "execution_count": 4,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "smi = 'O=C1CCC(N2Cc3cc(C4CCN(Cc5ccccc5)CC4)ccc3C2=O)C(=O)N1'\n",
    "core = Chem.MolFromSmiles('O=C1CCCC(=O)N1')\n",
    "\n",
    "newm = Chem.MolFromSmiles(smi)\n",
    "rdDepictor.Compute2DCoords(newm)\n",
    "newm.GetSubstructMatch(core)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "id": "optional-snake",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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      ],
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x75756871c900>"
      ]
     },
     "execution_count": 5,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "newm"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "id": "adjustable-berkeley",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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9+/adNm0agPz8fO3Y2PednNqWZJK1a9fEd6xfXboE4Ou5c40fXyKuv65uiLs7A+wSrx8iFEp2PEpfSQm+/x6FhV2uRCoUoqUFUVE4dgwM88znv3kT//0vKisfGxTU7khmZnR+vpGW1vopUx5tHToUw4Y984UUgZI7IUohPDwcwEsvvaSurg7gyJEjDMPU29pCsoaJ7OTlscmxWSg8f+eOiY7O9M4qlbtbW/fR1Dx7+7aQ7W9kGOTlySqkBw8QGoqmJnHfZpcEAqSnIzr62c5fWIiIiLaPjSdGNDYLhWtiYgBsdnXtK/6Q43Ih2T6j3KhZhqis5OTkuLi4IUOGvPHGG4qO5e8dOXIEwGvtA2M6vJQttiMRAHC3pqZZKBwxaBCnsxHcalzucGPjpMLCwtratoK3tbWPqqxIN6Tffuvyhv1JAgGuXIGe3t+sWcrjtXVgCIU4dEhyXFAHOxMT86qr7UxN3xkz5tFWBweYmDxtSIpGyZ2ooMbGxi+++GLz5s0MwwD473//GxYW1l+mTcO9U1BQkJqaamBg4ObmBqCwsDA5OVlXV3eWfCrHCgTgcNg799rmZgC6XT8u6GtoiA9rIxRKfwp+Tg6qq5+tpaW1FWfOSOXipfX17Cp6u2bPVpdcRe/hQ6mcXz6oWYaomvDw8BEjRmzatIlhGB0dHQ6HEx0dbWtru3PnzpanvxOUr4iICAALFy7k8/kADh8+zDDMvHnztOQzEVRdHQzDZlK2km3TE+tBiz0UCADoiLM5w8hkME98/DPctosjkdKRq6Oja5ubXxs5cqaV1WM78vLQ1PRsUSkOJXeiOlJSUqZOnfrGG2/cuXPH0dExLi6uvr4+KyvLw8OjtrZ21apVdnZ2bBpVNopskwHA5UJTk21aMdPXV+Ny8+/f7+rYvOpqnpraIH39ttdaWtJvk2lpQWnpM7/r6cPo9sikwsKDf/2loa6+9cmubDU1ySHwSo6aZYgqqKqq+uyzz7799tvW1ta+ffuuX7/+ww8/VFNTA2BraxseHh4bG+vv75+enu7p6Tljxozg4OBRo0YpOuo2HRphSktLExMTtbS05syZI78gzMxw8yYAXT7fsX//q8XFmRUVI59oX75eUlJaXz9p8GBN8d26ubn0g6moAI/XYVSiWFl9fXZlZV9tbW0ZlGNkGObDkycZYKWzs/WTK6A2N6O4GHZ2Ur+uLFByJ883gUDw3XffBQYG1tTU8Hi8Dz744LPPPjN4YtrkjBkzUlJSfvrpp3Xr1sXGxjo6Oi5ZsmTLli3GxsYKCVtSh0aY33//XSQSubu768pzDqSjI+7cYVtCfMaMuVpcHBAd/eebb3IlbnJbRSJ2AMm7Y8e2beLz24rOS1dDQ1d7QlNT3z1+vJtWo94z0tIy1NJa4+LS+e7aWtldWroouZPnWExMjJ+fX2ZmJgA3N7fg4GC7x++qcnNzN2zY8MUXX1haWqqrq/v4+Lz++usbN2789ttv9+7de/jw4Q0bNojv8RWFbYQZPHjwsWPH5s2bJ+82GRY75rKlBcASR8f/paUdz8196dChz6ZPZ2eoXi8p+TQuLjo/f7a19SJ2ZVcAmpqwsZF+MFxup83iDMP4R0U1CYVcDsdUR0cWd+6tIlFxfT0XqHz4sPNeZe5z05TNYXow8p8QRcvJyfn4449PnjwJwMbG5quvvpo3b96Th3l4eBw+fFhTU3PFihWffPKJTvvilllZWcuXLz99+jSAESNG7Nq1a/bs2fKMX+z8+fPTp08HwDAMh8OZOnVqfHw8l8stLS01NDSUayh5eeLaMvUtLcsiIw+lpTEAT02NYRihSMTlcLwdHL6dO1eLzao8nqxqh1VU4Mcfn+xQ/Tk19e2jR/U0NG5+9FE/mT3WvPX777/cuOFhZxcuXsNWjMvFlClyKvXTa5TcyXPm/v3727Zt27VrV0tLi6GhYUBAwPLly/ldDN0rLi7euHHjjz/+KBKJBg4cGBgYuHTpUm77zVdkZKS/v/+tW7cAzJ8/f/fu3ZaWlnL4FkQiUVJS0u+//37kyJHbt2+zG9mnh9bWVgDz5s07fvy4HCLpKCYGV66IR3/nVlWdyc9na4cNNTScZWX1qBmax8OECXB1lUkYDIMvvugwCL2uuXn4N98U19UdePXVt154obv39q6Dt6i21vabbxpaWs79+99TO8zk0tCAp+fzUgvzuXnEIEQkEoWFhdna2m7btk0oFHp5eWVnZwcEBHSV2QEMHDhwz549ly9fdnZ2Li4uXrZs2fjx4xMTE9m9CxYsyMrKCg4O1tPTO378+PDhw/38/Orap/PIIv74+Hg/P7/BgwdPmjTpyy+/vH37trGxsZeX17FjxxobG3/44Qf2yElsVUj5c3ODkxM7tPHW/ft/lZZONDPbOWvWzlmzxg0cmFJS0lYkUqaZHQCHA1vbDjl6y8WLxXV1E83NHzUKdfXe3hmkrx8waRIA/6io1icnx1pY9PL8ckPJnTwf4uLiHB0dvb29Kyoqpk+fnpKSEhYWZipZzqlrY8eOjY+PDw8PHzx48NWrV11cXDw9Pe/duweAz+f7+fllZ2f7+PgIhcLdu3cPHz48LCxMik+0ra2tbE4fNGjQ5MmTd+/eXVRUNHjwYF9f3+jo6JKSkrCwsAULFvB4vKVLl7755psADh8+rLAh+W5uWLAAwJn8fM+IiB+vX2c3f5uc7BkRcZ59znj5ZRlmdtbkyZKvbt2/H5yUxOVwgtsXp14fF/dzaqqow/8mNTVoaj7VvyduCFJLS71+/71ZKASw0tl5SJ8+qaWlP6WkPHbQiy8+FyXDWNShSpRdXl7e2rVr2fHp5ubmmzdvXrx48bOehMPheHh4zJ07d8eOHdu2bYuIiDh58uTKlSvXrFmjqanJ3uAvXbrUz8/v0qVL3t7e33zzTUhIyMSJE3scdlNTU3R09PHjx48ePVrevs7ykCFDFi5c6OHhMWnSpE7n93///feXLl26fv16UFDQ559/3uOr90pnVWWe7YDeu3NHsk/14/bFqZ0GDQLwV2npF/HxXA7HZfDgRy1FfD4+/BDiZfC6xzD46SeUlLADLhmGWfzHH2llZfb9+q2eNEmLx9s2c+YbERGfxsV52Nn1EZcU7nr4vxKiO3eivBoaGoKCguzt7SMiInR0dAIDA3Nzc3uQ2cV0dHSCgoJyc3O9vLwaGho2btxoY2MTFhbG7h03blxCQkJoaGj//v2Tk5MnTZq0ePHi0mecTdPY2BgZGbl48eJ+/fotXLhw79695eXlI0eODAgIuHjxYkFBQUhIiIuLS6eZHYCBgcFvv/3G4/G2bdsWExPT4+9UtmS9cOjji1PHFRT8mZ2tp6Gxpf1xgW0w+dDJ6VFmV1eHh8fTZnYAHA7eeAOamuzoFw6Hw1Zs33zhQkldHQBPO7upQ4aUNzRsvnDh0btu3nyOJjFRcifKiGGYsLAwa2vrjRs3Njc3e3l55eXlBQUFafZyWQYAgLm5eVhYWFxc3AsvvHDv3j1vb+8ZM2bcuHEDAIfDWbx4cV5eXmBgoIaGxoEDB6ytrYOCgpr+btL5w4cP2Zxuamq6cOHCAwcO1NbWjhw5MjAwMDMzMyMjY+vWrS5dDZ1+nJOT0/r160Ui0VtvvVVWVtb771cq2Haqrj6TpOzsWXEVl9b2xanXTZ7MLk4dkZFx7vZtIy2tT9lKvFwueDx4esLa+tmuoquLd96Bvj5bGMfV0nKhrW1dc/OncXHs/mB3dzUu9+vLl3MqKx+9Kyrq76tUKgdK7kTpXLlyxdnZ2dvbu7S0lL2blkXZr+nTp1+7dm3Pnj0mJiZxcXFjxoxZtmxZRUUF2m/w09LSPDw82Bt89unhyZNUV1ezLeZGRkZsTq+vr2dzem5ubkZGRlBQ0IgRI541tnXr1rm6upaVlb399tv/uPFsFRW4elX86rvk5LSysqGGhv4TJgBoFAhWR0cD+HzGDCNdXairw8IC77/fwxrrBgZ4/32MHg11dfB4X82eraGu/nNqanJREQCH/v3fdnBoaW1dKVmPrLJSMjxlRsmdKJFr1655eXlNmDAhKSlp0KBBoaGhly9f7k3Dd/fYaU05OTm+vr4A9u7da2trGxISIhQKAVhbW7N1C+zt7fPy8ti6BWlpaQAqKyvZnN6/f39vb+/jx48LBIJJkyYFBwcXFhayOX1YL5Z04HK5YWFhffv2PXXq1DfffCOt7/eZyPVWXZLE4tT3Gxs3nj8P4Kv2xal3JCbefvDAYeDApfPnY9Ik+Phg8WKwxYd7hseDuzv8/eHqauXo6OviImIYv6go9tvfMmOGgabm8dzcKMmy9RIPFsqMkjtRFmvXrh07duzBgwe1tLTEzetySC6GhoYhISFpaWlz5sy5f/++v7+/vb39qVOn2L2urq7Xr18PCQkxNDRkb/BtbGz69evH5nQOh+Pu7r5v377S0lLxkBipRMV+tg0dOmffviWpqVI55fMgO1uyUXv92bNVDx+6Wlq+NHw4gKLaWrYSb/D//qe2bBmmT5dadXUdHUyYgH//e/2xYwP69bt0795vGRkATHV01k2eDODj06cF4lo3TU04f14615UlSu5EWXz55ZcAhgwZwt75aj++xpusDR8+/OTJk8eOHbOyssrOzp47d+6CBQvy8/MBqKur+/r65uXlsTf4lZWVPB5v/vz5e/bsKSwsPHXq1NKlS01ksIbDvHnz5s07npam83//p/g7RbZtSLaftK2tkqspZVZU7Ll6VU1icerV0dENLS2eHh5TZTZHVE9P77PNmwGsOnOmoaUFgN+ECTZ9+2ZVVHwv2RqTnIz2EVBKi5I7URYCgQDAX3/9NUQOI+26IJ7WpK+vf/z48REjRvj5+dXW1gIwMjIKCQmxtLS8f/9+QkJCZGSkj4+PLHK6pO3buS++iKws+PvL9DqPU1Qr/6VLqK4Wv1oeFSUUid4fN86+Xz8Al+7dO5SWpqWpuW37dplGsWTJkrGjRxfW1n556RIAvprajlmzAASdO1cp/oxlGERFyTSM3qPkTpQFO9FUQ0NDsWHweDw/P7+srKzFixez05r+85//iPeyRQLk9lShqYlffoGWFvbtw6+/yueaCtLQgPh48avfs7LO5OcbaWkFTp0KQMQw/lFRDLBq9WpZf/ZzudyQr7/mcDhb4+PvPHgAYKGt7Wxr6/uNjUESAzRRUICcHJlG0kuU3IkyysjIsLKyWrhwoaICGDhwYGho6KVLl5ydndeuXauoMADY2WHnTgB47z2016FRRdHRaF+6r6W1la0tvKl9ceqfU1OvFBUNGjBg9erVcojF2dnZ4/XXGwWCtbGx7JZds2fz1NR+uHo1TXJw6unTXRWdVwaU3ImykBye0dTUdOvWreLiYsWGNH78+ISEBEdZlCx/Fu+/j5dfxoMH8PKCLCuZP6ZDI7tsB8+UlODGDfGrnYmJN6uqRpqY+IwZA0A89nz7zp3iup6ytvPLL7W1tA6lpV28cwfACBOTZWPGiAfdt7l/H5cvyyeeHqDkTsgzUNQAwZ9+wuDBiI/H5s1yvnJnpPvts+3X7Q39ZfX12+LjAexyd2cXp2ZnjU4cP54tvCMf5ubmK1auZAD/qCi2gs1n06cba2uz02UfHXf+POrr5RbVM6HkTshzwNAQBw9CTQ2bNuHsWUVHIxV1dUhNxYkT2LsXd++KN7OLU786YsQsKysA+dXVIZcvc7nc4N275fyZ+sknnww2M7teUhL2118ADLW0AqdNQ3uhm7aDWlrw88+IikJKCtiSmUqDkjshz4fJk7F2LUQieHvLuIDV364k18t71cpKHDiA3btx6hSuXpVcC/tacfHBGzf4amrixamXnz7dLBT+29vbycmpVxd9dlpaWlu++ALAmpiY2uZmAO+NHWvfr9+t+/dDJFtjqqpw+TKiovDtt9i7F3fuyDnOrlByJ8pIYdMjlduGDXBxwSuvQIarq2ZmIiwMgJ2Jic+YMZMGD2Y3T7e09BkzZhhbqGvfvp7Xz0pKwp49KCiAUPP/OPsAACAASURBVNhhrSWGYT44eVLEMCudnYf17Qsg9tatyJwcPR2dzVu29OJb6rlFixa5ODuX1ddvjY8HIB50L64v9khLC4RClJTgl19w7Jgy1J+h5E6UBSX0v6WujrNnERKCn3/G3r0oLOx4wJUr2LsXRUU9vUBaGv74g+20nTpkyJ4FC2YOHXrxzp3wjIwhffpsdnUdb2YGAC0t+PXXngwEjItDXByEwk6H0h+4ceNyYWE/Xd0AFxcAwvbey/WBgQMGDOjpt9QrHA4nePduLpf7ZWLizaoqdFZfrCOBAOnpOHhQ4fmdkjshzxN1dQB4910sW4Z33um4948/sGwZJDv8nkFZGSIjxcNxmoXCJX/+OeDLL6fs3/9GRMSM0NABX37pExnZdrBQiCNHnq15KCMDSUkdFs8Tq29p+SQmBsD2mTP1NTQAfHvlSnp5uZWlJTsxWFHGjBnz1ltviUdnor3Qjbi+WCcEAhQWor2ChaLQYh2EPAOleryIisLhw3j9dWmci2Hw+++SAy1XRUfvT0kZN2jQKmdnS0PD0vr6C3fuDJQsmC4QYO9eDBz4VOcXiXD3bjc3s59fvFhcVzdm4EB2fdTqxsZNFy4A2BUSovB5bdu3bz965MjvWVnR+fkzraysjIx8x4/fkZDgFxWVsGRJ578MAgH++gsODpBSraEeoOROlJFS5VDlNGYMysvh64uZM2Fg0OvTFRTgwQOIROwwx1aR6OfUVB0+P2bxYv323Drfxqbju5qacOtWr6+NW/fv77p0iQN8O3cul8MB8GlcXNXDhzOsrBbIej2/p9CvX78AN7d1f/65/PTp1HffVedy10+ZcvDGDba+2L9Gjer8bQIBYmLg7S3fYB+hZhmiLCihPxMtLWzciJISbNggjdNdvw6BQDyAvUEgqGtuNtbW1pfLXfPKM2eahMLFDg5sm35Gefm+a9fUudzgefOQkSGHAP5GdfUKR0drI6OM8nJ2UVk9DY3Ppk+HRH2xzhUWKrDkGyV3Qp5X3t4YPx7ffIMrV3p9roICyU5OfQ2Nvtradx48+EYKp/4bcQUFf2Rl6fL5n8+YwW5Zfvq0UCT6wMlplJERbt6UdQB/7/ZtDR6PHZ25Lja26uFDAEscHccOHFhYW/vx6dNdvlFNTYEjI6lZhpDnFZeLkBA4O+ODD5CUBDW1R7t27EBycpdvNDOLKyz84dFrhkFWVts5OZyXbG3ftLdfN3nyx6dPf3Ty5P6UlMUvvrjohReM28ul/ff69Ss9H5HzGAaIzMkB8MnkyWyD/tHs7Oj8fGNtbbZkmGSdSIWprIRA8NrIkdOGDDl3+/aWixe/mj2by+FscXWdffDg3mvX/jN6tFOnbesCgQLjp+ROyDNQtraj8eOxdCn27sX33+PDDx9tT0zE0aNdvmvq1Ibz5ztZNZBlrK39pr398okTB+nrf335csLdu9dLSgJiYt4cNSrY3d1AUzOuoOB/aWnS+hZMdXV1+HzvF19kX84cOnT91KkWBgaGWloAuhpdI1ftK+gGu7uvP3v23bFj2ZezrK15amqC1tasiorOk7tIhG4abWSMkjtRRsqWQ5XZF1/gjz+wYQP+9a9HG1etwv/9X5dv0dAY9sEH4Y9et7bi6FF2KIuIYcz09dnNnnZ2nnZ2t+7fP5SW9s2VKz+nppY3NJxYtOg/o0dPlV7d3T1Xr14vKdl84cL38+cD0OHz2ebsNny+tC7Uc+2PLC/2739Mor5NeEaGoLWVw+FMNDfv/I1qalDcUB9K7kRZUELvGSMjfPEFli7Fhg2Phs04O3f/puHA8Mc23Lkjvj/tYKih4bopU/4zerTTvn0nb97MrapytbR0tbSUQugAgCkWFi98//2+69ffHTv2xSeXQZf2wug9YWICPr/DPXhLa+v6uDgAG6ZOtenbt/M3qqvD2FgOAXaKOlQJee4tWYKJE7F3by+GlnR179muv67u9CFDANyWdnms4cbG748b1yoSLX+yZ5LPh62tdC/XE5aWT47QD05Kyq2qGmFiwi6y2jmhEBYWso2ta5TcCXnucTj47jtwODh+vKenGDOm+wYQEcOklZcDMJHBKlSBU6caa2ufLSj4vb1ftw3DYPjwLt4kR/r6HR4gyhsaPr94EcBXs2fzJDuyJXE4sLKiZhlCHqO0TTRKG5iDA95/H7t39/T9NjbQ0hK3PNQ1N0/7+WcPO7uZQ4cO0NMrq68PTkpKKSmx79fvUcsJhwMdHUyY8FTnZxgkJHTV8mOopbVx+vQPTpxYeebM3GHDNNXb85KJCXi8nn5LUjVsmGQpn09iYmqamhba2rpbW3f5FnV1tNe2VAhK7oSoiE2bcPgwerh6FYeDV1/FwYPs6JS7NTUtra2fxMR8InGI44ABhz09ueIPNnV1LFr0DG3iQ4fi55+7Gv2ybMyYPVev3igr23Xp0ifiho6SEhQVKXAGfxuhENevi1+llJT8nJoqXji7czwenJ0h4/XTu0fJnSgLpb0pVirp6bC1xc2b0NTsuEtfH6mpqKtDD0soDh6MadNw7hwEAjtT07T338+urMysqLjz4IGRltYIE5NxAwc++r/D42HOnGfr7Rw4EC+/jKNHO83valzuLnf3GaGhn1+86O3g0FbEhl2kackSKa/99Kzi41FTw37JMIxfVJSIYfwnTOiyH5XHw/DhYMfpKw61uRPy3CgsxLRpmDwZhoadF+wyMcHQoWAHiPeEszNcXdnKk9eKi//MztbX0Fg+caK3g0Npff32hISsigoAUFfH3LnowdKyI0di0SJoa3fa2OJqafny8OH1LS3r2pelBoDCQgVXIKitRWKi+NWh9PSLd+6Y6uis7bQflcOBujomTcIrryj4A4mSOyHPC3YNpqoqGBqiTx+ZXWbCBLbOZMK9e2tiYiLbi7YfSktbExPzV1kZALz9Nhwcenh+Cwv4+cHFBdra4PPB50smwS9nz9ZUVw9NTX1sBmx0tCKnMklcvVEgWBsbC+ALNzcDyUcndjy7mhpsbbFsGaZOVXhmBzXLEOWktE00Cgxs82bExaFfP+zfL+PUYWr6Nwf0cuw2n48pUzB5MioqUFaGu3dx9Sq7Z6ihod+ECdvi4/0lq+nW1iIhAdOm9eqiPXPvHtLTxa+2xsffefDAccCAf0t+tllYYPhwGBtj8GClmHLVju7cibJQ2oSuDOLjsWkTuFwcPKgU03qkgMOBqSns7TFvHkaMEG9eN3nyAD29S/fuPVbhICFB3OotP2yLf7t7NTU7ExM5QIi7+6NeZR0dvPkmJkyAtbVSZXZQciekezdu3BAper20Bw/g5QWhEAEBih1cJzOzZqF9+KOehsYWV1cAATExj6rpCoVoXwhJflJSJMcerTxz5qFA8Ka9/WTJeUkzZypwJHv3KLkTZTR06NA9e/YEBAQoMIaqqio/P7/Ro0fv379fgWEAeO893L6NceOwcaPCYmDLAcvqqapPH8nx8t4ODk6DBhXV1m5PSHh0THq6XMvntrTg7Fnxq4S7dyMyMrR4PHFdYgAYMAAvvCC/kJ4RJXeijExNTX18fF5++WWFXL25uXn79u1Dhw7dvXu3mppaBTtEREF++AG//goDA/z2m1wn9Mi7lWzyZLSv4cflcILd3TnAjsTEx6odREV1urK2TJw7h/p69ksRw/hHRTHAGhcXC8m+bHd3Zeg47YqSJveamhp3d3dLS0t7e/vc3FxFh/N8++GHHxwdHUePHn358mVFx9Kl/Pz8Dl8oSkxMjKOjY0BAQG1trZubW0pKypo1a9hdDx48qKmpAXDkyJFqudTpzszEihUA8N13kF6prr8jtwQqic+HxE3xRHPzf9nbNwoEayRbY0pLkZoqj2CqqyUXQNl37drV4mJzA4OVkvXYXngBgwfLI5ieUsbk/scffzg4OJw+ffr27dvp6enjxo0LCQkRKENZ5+dNUVHR4sWL33vvvdTU1JSUlMmTJ69Zs6a+/X5ESTQ0NAQFBY0aNYrD4XC53JEjR/r5+dXW1so/kuzs7Llz586cOTMrK8vW1vbEiRPR0dEjR44EIBKJwsLCbG1tKyoqtLW116xZY2pq6uLiEhISUlJSIqN4GhsbAwKuP3yIJUu6q9+rADK6XX3hBcnJqNtnztTh839LT78g2RoTG4vmZplcXVJUFFpb2S9rm5uDzp0D8OWsWdriRyceD0qwuGv3lCu5Z2dnz5kz59VXX719+/agQYOWLl1qZ2dXW1vr7+8/atSoEydOKDrA50ZjY+O2bduGDx9+4MABDQ2NsWPHDhs2TCgUshvDwsIYhdydPU4kEu3fv9/a2nrjxo0tLS0eHh4eHh6tra27d+8ePnz4zz//LLeezOrqaj8/P3t7+1OnThkaGm7duvXGjRtz585l9549e9bR0dHb27u8vHzKlCmrV692d3fncrkJCQn+/v7m5ubTpk37+uuvi6S0OJHYihUrTp+e8Prr+3teMeb5wuHA3V38ykxff5WzMwD/qKhW8W9CQwPOnYNQKMMwsrMh0VoQdO5caX39pMGDXx858tExkydLY1Vy2VKW5C7+64qKijIyMgoODr59+/a+ffvS09PZu6fc3Nz58+fPnDkzMzNT0cEqu8jIyJEjR7I36fPnz8/Ozk5OTs7NzU1KSpowYUJRUZG3t/eECROSkpIUGGRycrKLi8uSJUtKS0vHjRt38eLFX3/99ddff2W3l5SUvP32205OTvHx8TINQygU7t27d/jw4bt37wbg4+OTk5MTEBDA5/MB3Lt3b/Hixa6urjdu3DA3Nw8NDT137lxgYOCpU6fKy8vDw8O9vLw0NTXPnz/v6+trZmZmZ2cXFBR0UxrLfp44ceKHH37gcrlr1zro6PT+fM8JMzPY24tfrZ40yaJPH7aWy6NjkpLw+ef44gv88guysqTTiFRSgshI7NqFzz7Db7+JH03yqqu/vXKFy+GEuLs/6n4wMHjacmkKpfjkzv512draiv+6srOz/fz81NuHRrm5uaWmpgYHBxsYGMTExDg4OPj5+dXIf9Dr8+D69etTpkxZuHDh7du3R48efeHChcjIyCHti+Y4OTklJiaGhob269fvypUrzs7OixcvLmPnHMoR21g0fvz4S5cuDRo0KDQ09PLly87trZls2OHh4RYWFteuXZsyZYqnp+cd2QyTiI2NHT169LJlyyoqKlxdXa9fv75nzx4TExO0NxbZ2NgcOHBAW1s7MDAwNzd38eLF4r/wPn36eHh4hIWFlZeXHzt2zMvLS09PLzMzc+PGjTY2NmyWz87O7llghYWF3t7eDMNs377dsQez/GVAfv2rM2eKO4612pelXhsbWyNZUZJh0NKCvDwcPYqQENy92/PL1dYiLAz79yMlBbW1HT4qfE+damltfWfMmDGS1R5mz1aWWpXdUnByZzuvli1bVllZOWPGDMm/LgAMwxQXFwPg8Xh+fn75+fm+vr4ikWj37t1WVlYhISGt7e1ipLKy0s/Pz8nJ6eLFi3379g0ODr5y5crkJ8pfcDicxYsX5+fnBwYG8vn8AwcOWFlZBQUFNcuhHfPxxiJNTc2AgICsrCzJjCkO0sPDIzMzMzAwUFNTMyIiYuTIkUFBQY2NjdKK5ObNm56enm5ubmlpadbW1uHh4bGxsfb29gAYhmGvuHHjxubmZg8Pj6ysrKCgIM0nK3UBALS1tRcsWCCZ5Q0MDNgsP2LECDbLX7t27eljE4lEixcvrqqqmjNnzkcffSSdb/jZyXbsYzf09ODiIn71r1GjplhYlDc0bLl4sZODW1pQU4ODByX7P59BYSG++w537kAgePIJ4ERu7qmbN/U1NIIkJ8cOGSI55UqZKSy5s39dM2fOTE9PHzZsWHh4eExMjL3EExmAAwcOWFtbi/sA+/btGxISkpycPHny5KqqKn9/f/ZxXkHfgbIQCAQhISFWVla7d+/mcrm+vr75+fl+fn5qXa0hAOjo6AQFBaWlpXl4eDQ0NGzcuNHe3j4iossVk6WiQ2NRRkbG1q1b9dpHvz1JW1s7KCgoNzfXy8ursbGRvSPufW9BfX19UFAQ+/3q6OgEBgamp6d7eHiwe9lGIU9Pz7t3744dOzY+Pj48PHzw0w2K0NTUZLN8WVlZdHS0r6+vqakpm+XHjh07dOhQPz+/+Pj4v43/s88+O3v2bL9+/fbv3/8Pna/r7CxZPSfY3Z3L4YQkJeVWVXV+vECAmJhnHkhTXo4DB9Dc/OQqSwAEra0rzpwBEDRtWn9d3batj/cKKDtG7urq6gIDAzU0NADo6uoGBgY2NTV1eqSfnx/7yz148OBff/1VJBKJdx07dkzc2jB//vyCggI5Ra9kjh07ZmVlxf4c3NzcMjMzn/UMMTExo0aNYs8wY8aMtLQ0qQd57do18TME2+ryrGc4d+7ciy++yJ5h6tSpqampPQijtbWVbZICwOVyvby8SktLxXsLCwu9vLzY37eBAwfu2bOntbW1B1eRJBQKL1686Ovr21+iYoCFhYWvr+/Fixclf5/FLl68qKamxuVyo6Oje3n1nquqYoKCdrm7A/CfMIEJDGSCgjzt7AD85uHBBAUxLS0yjyE9nQkKEv9b4ugIYKGtreTGYHf3MQMHPvZv1KgxDg5/88/Rse2fmZnke//t4CB58p2zZgGwNjJqXr/+0fZjx2T+jUuPXJN7939dnbp8+fKE9r4LJyenS5cuiXc9fPhw69aturq6ALS0tAICAurq6mT8HSiRrKysOXPmsD8Zdtxej08lEAj27NljbGwMQF1d3cfHp6KiQipBVlRU+Pr6ss8QbGORUCjs2anYXx5TU1PxL09ZWdnTv/3cuXMO7cWe2OZ+8S72F4l9hmB/kWpra3sWZDfBs1l+kMRQPzMzMx8fn2PHjgkEAvaw+/fvW1hYAFi3bp10A3g2iYl/k9yzsmQeQ04Os3GjOKuWrVrFVmGMeust8cZVkyb1+ub2kYnm5pKX66OpCeDkokWSGZ85dUrm37j0cBh5DYk7f/68v79/amoqgPHjx4eEhIwfP/5p3sgwzIEDB1avXl1WVsblchctWrRjxw72EwJAUVHRJ598cvDgQYZhBg0a9Pnnn4vvv1RVdXX1xo0bv/vuO6FQaGhoGBgY+MEHH4j7n3t52m+//ba1tdXIyGjDhg0ffvhhN2073RMIBN99992GDRtqa2t5PN5777332WefGfR69NiDBw+2bt26a9eulpaWPn36rFmzZvny5fxuCzYVFhauXbuW/Q0xMzPbsmWL5G9IZGSkn59fQUEBgPnz5+/evdtSlpOFRCJRSkpKZGTk//73P/GgGmNj4zlz5jg4OFy6dOnw4cPjxo1LSEjgKaTLjmHw55/IyIBQeLOqKrW0dFjfvg79+wNIKiy8V1MzwczM3MAA6uqYOFG2A73/+1/JZe0AbE9ICIiOHmFi8te777LLlhbW1pZJb9KGDp8/vL3apU9k5L5r1+bZ2BzvML+Az8fq1ejpH4WcySO5d//X9ZQaGhp27NixdevW5uZmHR2dlStXfvLJJxrtJXuuXLni5+fHju1zcnIKCQmZ8DyMVXpWQqHwp59+WrduXWVlpbq6+pIlSzZv3mwi1aW8srKyli9ffvr0aQAjRozYtWvX7Nmzn/UkkZGRy5cvZ+eaurm5hYSEjJQcI9xrubm5H3/8MTvvwcbG5quvvpo3b16nR27ZsmXz5s1NTU06Ojpr1qxZsWKFVvtKFtevX/f392f7bBwdHYODg6dMmSLFILvHMMzVq1ePHDly5MiRvLw8diOHw9HX109JSZHpB0x3jh5FZqa4fHnC3btxBQVFdXVqHI65gYG7tbWDuH2Jz8fEibIqw9vcjB078PhwiZbWVvvvvsutqvp67twPnZy6fC/D9HKOVWpp6di9e7kcTtp779l2KG6soYE33pDjXOFekW2H6sOHD4OCgoYNG3bgwAEtLa0nx5M9ve77AJ2cnBISEsSD/CZNmqSQQX4yFRsb283IImkZMWJEVFTUsWPHLC0ts7Ky3N3dFyxYwN7YPg12kufChQvz8/M7TPKUIhsbm+PHjz/NBAihUMiOeMnIyPj000/ZzM5WBJMcWZScnCzPzA6Aw+GMGzdu69atN2/eTE1N/c9//qOhoWFgYLBq1SqFZfYbN8SZvbS+ftrPP7v89NOGs2cjMjIO3LjxSUyM4w8/vB4eXscOrGppQWKirCp5lZU9OdaQr6a2feZMAB+fPn2zm9oPvcvsDMPMOXiwVSTyHT++Y2YHIBRC2lPVZEdWd+4Mwxw+fHjlypV3797lcDivv/76jh07LCRLZfZCbGysv79/eno6gBkzZgQHB4u7BOvr63fu3Mne4Ovq6q5YsULyBv85dfPmzXXr1rGfZNbW1p9//rl4dIfstLS0fP/99+vXr6+rq+Pz+e++++7mzZu7Gdwio8ai7rGNP4GBgTU1NZ02/jQ2Nt64cUPcAPi3x/9zCQT46is0NQFoaGkZt29fVkWFz5gx66ZMGWxgACCroiIgJiYyJ2fqkCGxixercbkA0KcPfH2lX40gIwORkZ2WGTDetq1KeiNiu8LlcAo//nhAp7/tY8eii8dEZaMWFBQk9ZNevXr1jTfe+Oqrr2pqasaMGRMeHr5ixYo+0lsZbOjQoT4+PmZmZklJSRkZGfv27SsqKpo4caK2tjafz582bdobb7xRWlqampp6/vz53377rX///nZ2dtK6ujzV19d//vnnixYtunHjhq6u7ieffHLo0KEX5FJlVE1NbcKECd7e3vX19VevXk1KSgoNDdXT03N0dOzw4CUUCn/88cdXXnnl7NmzXC536dKlf/zxh6urK5cr84G2bJDvvPNOU1PTlStXkpKS9u3bp6GhMW7cOPbqPB7PzMyMPTgmJuall146ePBgc3Ozm5vbn3/+uXjx4q5Gr//jpKYiL49tCfn84sXDmZnvjRv3w/z54sXkTHR0PO3skgoL4woKLA0N29pnGAYDB8LISMrBVFYiJwedzWJxGDAg5tatenGddxnQUFf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       "</svg>\n"
      ],
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7575f496b1b0>"
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "smi = 'N#CC1=CC=CC(S(=O)(=O)N2CC3=CC(C4CCN(CC5=CC=CC=C5)CC4)=CC=C3C2=O)=C1'\n",
    "core = Chem.MolFromSmiles('N#CC1=CC=CC([SH](=O)=O)=C1')\n",
    "\n",
    "gen1 = Chem.MolFromSmiles(smi)\n",
    "rdDepictor.Compute2DCoords(gen1)\n",
    "gen1.GetSubstructMatch(core)\n",
    "gen1"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "id": "instant-advertising",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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",
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       "Q 348.6 223.2, 350.6 223.2\n",
       "Q 351.9 223.2, 353.5 223.8\n",
       "L 353.1 225.1\n",
       "Q 351.7 224.5, 350.6 224.5\n",
       "Q 349.5 224.5, 348.9 225.0\n",
       "Q 348.3 225.4, 348.3 226.2\n",
       "Q 348.3 226.9, 348.6 227.2\n",
       "Q 348.9 227.6, 349.4 227.8\n",
       "Q 349.9 228.0, 350.6 228.3\n",
       "Q 351.7 228.6, 352.3 228.9\n",
       "Q 352.9 229.3, 353.4 229.9\n",
       "Q 353.8 230.6, 353.8 231.7\n",
       "Q 353.8 233.3, 352.7 234.2\n",
       "Q 351.7 235.0, 349.9 235.0\n",
       "Q 348.9 235.0, 348.1 234.8\n",
       "Q 347.3 234.6, 346.4 234.2\n",
       "L 346.8 232.9\n",
       "' fill='#000000'/>\n",
       "</svg>\n"
      ],
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x75756871c820>"
      ]
     },
     "execution_count": 7,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "smi = 'O=C1C2=CC=C(C3CCN(CC4=CC=CC=C4)CC3)C=C2CN1C1=CC=C2SC3=CC=CC=C3C2=C1'\n",
    "core = Chem.MolFromSmiles('C1=CC=C2C(=C1)SC1=CC=CC=C12')\n",
    "\n",
    "gen2 = Chem.MolFromSmiles(smi)\n",
    "rdDepictor.Compute2DCoords(gen2)\n",
    "gen2.GetSubstructMatch(core)\n",
    "gen2"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "id": "naughty-covering",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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      ],
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x75756871c660>"
      ]
     },
     "execution_count": 8,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "smi = 'CCN(CF)C1=CC=CC(N2CC3=CC(C4CCN(CC5=CC=CC=C5)CC4)=CC=C3C2=O)=C1'\n",
    "core = Chem.MolFromSmiles('CCN(CF)C1=CC=CC=C1')\n",
    "\n",
    "gen3 = Chem.MolFromSmiles(smi)\n",
    "rdDepictor.Compute2DCoords(gen3)\n",
    "gen3.GetSubstructMatch(core)\n",
    "gen3"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "id": "charged-bandwidth",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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       "' fill='#000000'/>\n",
       "</svg>\n"
      ],
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x75756871c7b0>"
      ]
     },
     "execution_count": 9,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "smi = 'O=C1C2=CC=C(C3CCN(CC4=CC=CC=C4)CC3)C=C2CN1C1=CC=C2N=C3C=CC=CC3=NC2=N1'\n",
    "core = Chem.MolFromSmiles('C1=CN=C2N=C3C=CC=CC3=NC2=C1')\n",
    "\n",
    "gen4 = Chem.MolFromSmiles(smi)\n",
    "rdDepictor.Compute2DCoords(gen4)\n",
    "gen4.GetSubstructMatch(core)\n",
    "gen4"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "id": "occasional-missile",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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       "' fill='#FF0000'/>\n",
       "</svg>\n"
      ],
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x75756871cac0>"
      ]
     },
     "execution_count": 10,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "smi = 'N#CC1=CC=CC(CN2CC3=CC(C4CCN(CC5=CC=CC=C5)CC4)=CC=C3C2=O)=C1'\n",
    "core = Chem.MolFromSmiles('CC1=CC(C#N)=CC=C1')\n",
    "\n",
    "gen4 = Chem.MolFromSmiles(smi)\n",
    "rdDepictor.Compute2DCoords(gen4)\n",
    "gen4.GetSubstructMatch(core)\n",
    "gen4"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "id": "palestinian-lodge",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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       "' fill='#000000'/>\n",
       "</svg>\n"
      ],
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x75756871cc10>"
      ]
     },
     "execution_count": 11,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "smi = 'O=C1C2=CC=C(C3CCN(CC4=CC=CC=C4)CC3)C=C2CN1C1=NOC=C1'\n",
    "core = Chem.MolFromSmiles('C1=CON=C1')\n",
    "\n",
    "gen5 = Chem.MolFromSmiles(smi)\n",
    "rdDepictor.Compute2DCoords(gen5)\n",
    "gen5.GetSubstructMatch(core)\n",
    "gen5"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "id": "enabling-angel",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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       "' fill='#000000'/>\n",
       "</svg>\n"
      ],
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x75756871ccf0>"
      ]
     },
     "execution_count": 12,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "smi = 'CC1=CC=C(N2CC3=CC(C4CCN(CC5=CC=CC=C5)CC4)=CC=C3C2=O)N=C1'\n",
    "core = Chem.MolFromSmiles('CC1=CC=CN=C1')\n",
    "\n",
    "gen6 = Chem.MolFromSmiles(smi)\n",
    "rdDepictor.Compute2DCoords(gen6)\n",
    "gen6.GetSubstructMatch(core)\n",
    "gen6"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "absent-girlfriend",
   "metadata": {},
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "ede50304-7c47-4f6e-9b8a-4262604b62cf",
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
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